N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide

C15H26N2O3S — CID 79592394

IUPACN-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
SMILESCCCN(Cc1ccc(N)cc1)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C15H26N2O3S/c1-4-9-17(12-14-5-7-15(16)8-6-14)21(18,19)11-10-20-13(2)3/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyDETWZBXKBXEHCN-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.24
Rot. Bonds9

About N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide

N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide (PubChem CID 79592394) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
PubChem CID79592394
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide
SMILESCCCN(Cc1ccc(N)cc1)S(=O)(=O)CCOC(C)C
InChIInChI=1S/C15H26N2O3S/c1-4-9-17(12-14-5-7-15(16)8-6-14)21(18,19)11-10-20-13(2)3/h5-8,13H,4,9-12,16H2,1-3H3
InChIKeyDETWZBXKBXEHCN-UHFFFAOYSA-N
XLogP2.24
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide (CID 79592394) is N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide is CCCN(Cc1ccc(N)cc1)S(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide?
The InChIKey is DETWZBXKBXEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-9-17(12-14-5-7-15(16)8-6-14)21(18,19)11-10-20-13(2)3/h5-8,13H,4,9-12,16H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide?
N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-propan-2-yloxy-N-propylethanesulfonamide is sourced from PubChem (CID 79592394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).